CID 59558679

1105664-58-1

Structural Information

Molecular Formula

C₈H₇ClN₂O

SMILES

C1CC2=CN=C(N=C2C(=O)C1)Cl

InChI

InChI=1S/C8H7ClN2O/c9-8-10-4-5-2-1-3-6(12)7(5)11-8/h4H,1-3H2

InChIKey

UXXAEOQTOHCKGT-UHFFFAOYSA-N

Compound name

2-chloro-6,7-dihydro-5H-quinazolin-8-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 182.02469 Da
Monoisotopic Mass: 1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	183.03197	133.6
[M+Na]+	205.01391	143.7
[M-H]-	181.01741	135.2
[M+NH4]+	200.05851	152.9
[M+K]+	220.98785	139.6
[M+H-H2O]+	165.02195	127.0
[M+HCOO]-	227.02289	148.6
[M+CH3COO]-	241.03854	146.7
[M+Na-2H]-	202.99936	141.7
[M]+	182.02414	133.4
[M]-	182.02524	133.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe